Chemical Properties of Bis(cyclopentadienyl)zirconium dichloride (CAS 1291-32-3)

InChI

InChI=1S/2C5H5.2ClH.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2

InChI Key

QRUYYSPCOGSZGQ-UHFFFAOYSA-L

Formula

C10H10Cl2Zr

SMILES

Cl[Zr]12345678(Cl)(C9C1C2C3C94)C1C5C6C7C18

Molecular Weight¹

292.32

CAS

1291-32-3

Other Names

• Bis(cyclopentadienyl)dichlorozirconium
• Bis-«pi»-cyclopentadienyldichlorozirconium
• Bis-«pi»-cyclopentadienyldichlorozirconium
• Dichlorobis(cyclopentadienyl) zirconium
• Dichlorobis(«eta»5-2,4-cyclopentadien-1-yl)zirconium
• Dichlorobis(«eta»5-2,4-cyclopentadien-1-yl)zirconium
• Dichlorodi-«pi»-cyclopentadienylzirconium
• Dichlorodi-«pi»-dicyclopentadienylzirconium
• Dichlorodi-«pi»-cyclopentadienylzirconium
• Dichlorodi-«pi»-dicyclopentadienylzirconium
• Dichlorodicyclopentadienylzirconium
• Dichlorozirconocene
• Dicyclopentadienyldichlorozirconium
• Dicyclopentadienylzirconium dichloride
• NSC 93930
• Zirconcene dichloride
• Zirconium dicyclopentadiene dichloride
• Zirconium, dichlorobis(2,4-cyclopentadien-1-yl)-
• Zirconium, dichlorobis(«eta»(5)-2,4-cyclopentadien-1-yl)-
• Zirconium, dichlorobis(«eta»(5)-2,4-cyclopentadien-1-yl)-
• Zirconium, dichlorodi-«pi»-cyclopentadienyl-
• Zirconium, dichlorodi-«pi»-cyclopentadienyl-
• Zirconocene dichloride
• bis(3-cyclopentadienyl)dichlorozirconium
• bis(eta-cyclopentadienyl)zirconium chloride

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• P_vap : Vapor pressure (kPa).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-5972.70 ± 2.90	kJ/mol	NIST
ΔfH°gas	-433.60 ± 3.90	kJ/mol	NIST
ΔfH°solid	-538.60 ± 3.30	kJ/mol	NIST
ΔsubH°	[81.20; 108.50]	kJ/mol
ΔsubH°	103.00 ± 13.00	kJ/mol	NIST
ΔsubH°	108.50 ± 4.60	kJ/mol	NIST
ΔsubH°	105.00 ± 2.10	kJ/mol	NIST
ΔsubH°	81.20 ± 2.10	kJ/mol	NIST
ΔsubH°	105.00 ± 2.10	kJ/mol	NIST
IE	[8.60; 9.37]	eV
IE	9.37 ± 0.25	eV	NIST
IE	8.60 ± 0.10	eV	NIST
IE	8.60 ± 0.05	eV	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔsubH	100.30	kJ/mol	425.00	NIST
ΔvapH	71.00 ± 5.00	kJ/mol	409.50	NIST
Pvap	[9.20e-05; 9.14e-04]	kPa	[408.15; 449.15]
Pvap	9.20e-05	kPa	408.15	Vapor p...
Pvap	1.69e-04	kPa	418.15	Vapor p...
Pvap	3.11e-04	kPa	429.15	Vapor p...
Pvap	5.47e-04	kPa	438.15	Vapor p...
Pvap	9.14e-04	kPa	449.15	Vapor p...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[510.76; 648.70]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.39147e+01
Coefficient B			-1.20678e+04
Temperature range, min.			510.76
Temperature range, max.			648.70
Pvap	1.33	kPa	510.76	Calculated Property
Pvap	2.65	kPa	526.09	Calculated Property
Pvap	5.08	kPa	541.41	Calculated Property
Pvap	9.38	kPa	556.74	Calculated Property
Pvap	16.77	kPa	572.07	Calculated Property
Pvap	29.08	kPa	587.39	Calculated Property
Pvap	49.03	kPa	602.72	Calculated Property
Pvap	80.55	kPa	618.05	Calculated Property
Pvap	129.20	kPa	633.37	Calculated Property
Pvap	202.66	kPa	648.70	Calculated Property

Similar Compounds

Find more compounds similar to Bis(cyclopentadienyl)zirconium dichloride.

Sources

• Vapor pressure of tetrakis(1,1,1-trifluro-5,6-dimethylheptanedionato) zirconium(IV) and dichlorobis( 5-cyclopentadienyl)zirconium(IV) by TG-based transpiration technique
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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